2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine

C12H13BrN2 — CID 68738414

IUPAC2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine
SMILESNC(N)Cc1ccc2ccccc2c1Br
InChIInChI=1S/C12H13BrN2/c13-12-9(7-11(14)15)6-5-8-3-1-2-4-10(8)12/h1-6,11H,7,14-15H2
InChIKeySADDNBPDHDPCAP-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.39
Rot. Bonds2

About 2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine

2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine (PubChem CID 68738414) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine
PubChem CID68738414
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine
SMILESNC(N)Cc1ccc2ccccc2c1Br
InChIInChI=1S/C12H13BrN2/c13-12-9(7-11(14)15)6-5-8-3-1-2-4-10(8)12/h1-6,11H,7,14-15H2
InChIKeySADDNBPDHDPCAP-UHFFFAOYSA-N
XLogP2.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine (CID 68738414) is 2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine is NC(N)Cc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine?
The InChIKey is SADDNBPDHDPCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-12-9(7-11(14)15)6-5-8-3-1-2-4-10(8)12/h1-6,11H,7,14-15H2.
What are the key properties of 2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine?
2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine has a molecular weight of 265.15 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)ethane-1,1-diamine is sourced from PubChem (CID 68738414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).